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4TH-ORDER DIAGRAMMATIC MB-RSPT CALCULATIONS OF THE CORRELATION ENERGY - N-2, CO, F-2 AND THE REACTION ENERGY OF THE PROCESS 1/2F-2+1/2H-2 = HF

被引：22
作者：
KELLO, V
URBAN, M
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1980年 / 18卷 / 06期
关键词：
D O I：
10.1002/qua.560180608
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：1431 / 1448
页数：18
相关论文
共 59 条
[1]   ORTHOGONALLY-SPIN-ADAPTED COUPLED-CLUSTER THEORY FOR CLOSED-SHELL SYSTEMS INCLUDING TRI-EXCITED CLUSTERS [J].
ADAMS, BG ;
PALDUS, J .
PHYSICAL REVIEW A, 1979, 20 (01) :1-17
[2]  
AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[3]  
AHLRICHS R, 1975, J CHEM PHYS, V63, P4685, DOI 10.1063/1.431254
[4]   INFLUENCE OF ELECTRON CORRELATION ON REACTION ENERGIES - DIMERIZATION ENERGIES OF BH3 AND LIH [J].
AHLRICHS, R .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :59-68
[5]   MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS [J].
AHLRICHS, R .
COMPUTER PHYSICS COMMUNICATIONS, 1979, 17 (1-2) :31-45
[6]  
Bartlett R. J., 1976, QUANTUM SCI
[7]   COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O [J].
BARTLETT, RJ ;
SHAVITT, I .
CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :190-198
[8]   MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM [J].
BARTLETT, RJ ;
PURVIS, GD .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :561-581
[9]  
BARTLETT RJ, 1975, INT J QUANTUM CHEM, P183
[10]  
BARTLETT RJ, 1977, INT J QUANTUM CHEM, P165
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